(2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

C21H20FNO2 — CID 56672764

IUPAC(2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2cccnc2)c2ccccc2F)cc1
InChIInChI=1S/C21H20FNO2/c1-15(2)25-18-11-9-16(10-12-18)21(24,17-6-5-13-23-14-17)19-7-3-4-8-20(19)22/h3-15,24H,1-2H3
InChIKeyHZWMOOVPDUBBSO-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.29
Rot. Bonds5

About (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

(2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (PubChem CID 56672764) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
PubChem CID56672764
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name(2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2cccnc2)c2ccccc2F)cc1
InChIInChI=1S/C21H20FNO2/c1-15(2)25-18-11-9-16(10-12-18)21(24,17-6-5-13-23-14-17)19-7-3-4-8-20(19)22/h3-15,24H,1-2H3
InChIKeyHZWMOOVPDUBBSO-UHFFFAOYSA-N
XLogP4.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (CID 56672764) is (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is CC(C)Oc1ccc(C(O)(c2cccnc2)c2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is HZWMOOVPDUBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-15(2)25-18-11-9-16(10-12-18)21(24,17-6-5-13-23-14-17)19-7-3-4-8-20(19)22/h3-15,24H,1-2H3.
What are the key properties of (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
(2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 337.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56672764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).